Modeling nanoscale inhomogeneities for quantitative HAADF STEM imaging

Richard Aveyard; Riccardo Ferrando; Roy L Johnston; Jun Yuan

doi:10.1103/PhysRevLett.113.075501

Modeling nanoscale inhomogeneities for quantitative HAADF STEM imaging

Richard Aveyard, Riccardo Ferrando, Roy L Johnston, Jun Yuan

Chemistry

Research output: Contribution to journal › Article › peer-review

16 Citations (Scopus)

Abstract

High-angle annular dark-field scanning transmission electron microscopy in conjunction with image simulation is an important tool to determine the structure of nanomaterials. We show that molecular dynamics calculations can be combined with multislice image simulations to account for the large effects of surface-enhanced thermal vibrations and structural relaxation on image intensities. Application to a catalytically important gold cluster shows that the image intensity is sensitive to these surface dominated effects with important implications for three-dimensional structural characterizations.

Original language	English
Article number	075501
Pages (from-to)	1-5
Number of pages	5
Journal	Physical Review Letters
Volume	113
Issue number	7
DOIs	https://doi.org/10.1103/PhysRevLett.113.075501
Publication status	Published - 13 Aug 2014

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https://doi.org/10.1103/PhysRevLett.113.075501Licence: None: All rights reserved

Towards an Atomic-scale understanding of the 3D Structures of size-selected Clusters on Surfaces
Li, Z., Johnston, R. & Palmer, R.
Engineering & Physical Science Research Council
1/02/10 → 17/01/14
Project: Research Councils

Cite this

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title = "Modeling nanoscale inhomogeneities for quantitative HAADF STEM imaging",

abstract = "High-angle annular dark-field scanning transmission electron microscopy in conjunction with image simulation is an important tool to determine the structure of nanomaterials. We show that molecular dynamics calculations can be combined with multislice image simulations to account for the large effects of surface-enhanced thermal vibrations and structural relaxation on image intensities. Application to a catalytically important gold cluster shows that the image intensity is sensitive to these surface dominated effects with important implications for three-dimensional structural characterizations.",

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AB - High-angle annular dark-field scanning transmission electron microscopy in conjunction with image simulation is an important tool to determine the structure of nanomaterials. We show that molecular dynamics calculations can be combined with multislice image simulations to account for the large effects of surface-enhanced thermal vibrations and structural relaxation on image intensities. Application to a catalytically important gold cluster shows that the image intensity is sensitive to these surface dominated effects with important implications for three-dimensional structural characterizations.

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Modeling nanoscale inhomogeneities for quantitative HAADF STEM imaging

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Towards an Atomic-scale understanding of the 3D Structures of size-selected Clusters on Surfaces

Cite this